Stability and Bonding in Metal, Carbon, and Semiconductor Clusters

Gingerich教授获得了理论与计算化学项目的资助，研究金属、碳和半导体簇的热力学稳定性。小型无机团簇的热力学性质将由克努森渗出细胞质谱仪的高温平衡测量来确定。研究的系统将包括双原子过渡金属、碳化物和氮化物，以及金属簇、碳、硅、锗和IV族间化合物。键能和生成焓将由测量的反应焓导出。对于选定的分子，平衡测量将辅以理论计算和基质分离光谱研究，以阐明分子结构和键合的性质。提出的研究将为应用耐火材料提供急需的基础知识。预计本研究的结果将有助于发现具有改进技术性能的新材料。

Professor Gingerich is supported by a grant from the Theoretical and Computational Chemistry Program to study the thermodynamic stabilities of metal, carbon, and semiconductor clusters. Thermodynamic properties of small inorganic clusters will be determined from high temperature equilibrium measurements with a Knudsen effusion cell mass spectrometer. Systems studied will include diatomic transition metals, carbides and nitrides, and clusters of metals, carbon, silicon, germanium and inter-group IV compounds. Bond energies and enthalpies of formation will be derived from the measured reaction enthalpies. For selected molecules the equilibrium measurements will be complemented by theoretical calculations and matrix isolation spectroscopic investigations in order to elucidate the molecular structure and nature of bonding. %%% The proposed investigations will provide much needed fundamental knowledge for refractory materials of applied interest. It is expected that the results obtained from this research will aid the finding of new materials with improved technological properties.